3-((Trifluoromethyl)thio)aniline
TL;DR: 3-((Trifluoromethyl)thio)aniline (CAS 369-68-6) is a chemical compound with molecular formula C7H6F3NS and molecular weight 193.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trifluoromethylsulfanyl)aniline
Also Known As: 3-(TRIFLUOROMETHYLTHIO)ANILINE, 3-[(trifluoromethyl)sulfanyl]aniline, 3-(trifluoromethylsulfanyl)aniline, 3-Aminophenyl trifluoromethyl sulphide, 3-((Trifluoromethyl)thio)aniline
| Molecular Formula | C7H6F3NS |
|---|---|
| Molecular Weight | 193.02 g/mol |
| LogP | 2.8807 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.0173 |
| Heavy Atoms | 12 |
| Complexity | 271.59915 |
Chemical Identifiers
| CAS Number | 369-68-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SC(F)(F)F)N |
Product Overview
3-((Trifluoromethyl)thio)aniline (CAS 369-68-6), with molecular formula C7H6F3NS and molecular weight 193.02 g/mol. IUPAC: 3-(trifluoromethylsulfanyl)aniline.
Chemical Property Profile of 3-((Trifluoromethyl)thio)aniline
Property Insights of 3-((Trifluoromethyl)thio)aniline
The XLogP value of 2.8807 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((Trifluoromethyl)thio)aniline. With a topological polar surface area (TPSA) of 26.02 Ų, 3-((Trifluoromethyl)thio)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((Trifluoromethyl)thio)aniline has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((Trifluoromethyl)thio)aniline?
The CAS number of 3-((Trifluoromethyl)thio)aniline is 369-68-6.
What is the molecular formula of 3-((Trifluoromethyl)thio)aniline?
The molecular formula of 3-((Trifluoromethyl)thio)aniline is C7H6F3NS.
What is the molecular weight of 3-((Trifluoromethyl)thio)aniline?
The molecular weight of 3-((Trifluoromethyl)thio)aniline is 193.02 g/mol.
Where can I buy 3-((Trifluoromethyl)thio)aniline?
You can request a quote for 3-((Trifluoromethyl)thio)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((Trifluoromethyl)thio)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-((Trifluoromethyl)thio)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.